ChemSpider 2D Image | 4-[(3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarbaldehyde | C23H32N6O5S

4-[(3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarbaldehyde

  • Molecular FormulaC23H32N6O5S
  • Average mass504.602 Da
  • Monoisotopic mass504.215485 Da
  • ChemSpider ID27317436

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperazinecarboxaldehyde, 4-[[3-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]-1-ethyl-1H-pyrazol-4-yl]carbonyl]- [ACD/Index Name]
4-[(3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazincarbaldehyd [German] [ACD/IUPAC Name]
4-[(3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarbaldehyde [ACD/IUPAC Name]
4-[(3-{[4-(2-Éthoxyphényl)-1-pipérazinyl]sulfonyl}-1-éthyl-1H-pyrazol-4-yl)carbonyl]-1-pipérazinecarbaldéhyde [French] [ACD/IUPAC Name]
4-[(3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]piperazine-1-carbaldehyde

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 761.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.5±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.70
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.38
Polar Surface Area: 117 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 366.6±7.0 cm3

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